4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine

C13H18N2OS — CID 54965186

IUPAC4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccccc2COC)=N1
InChIInChI=1S/C13H18N2OS/c1-3-11-9-17-13(14-11)15-12-7-5-4-6-10(12)8-16-2/h4-7,11H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyAITPEYRPYSDGFM-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.13
Rot. Bonds4

About 4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine

4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 54965186) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID54965186
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccccc2COC)=N1
InChIInChI=1S/C13H18N2OS/c1-3-11-9-17-13(14-11)15-12-7-5-4-6-10(12)8-16-2/h4-7,11H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyAITPEYRPYSDGFM-UHFFFAOYSA-N
XLogP3.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 54965186) is 4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(Nc2ccccc2COC)=N1.
What is the InChIKey of 4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AITPEYRPYSDGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-11-9-17-13(14-11)15-12-7-5-4-6-10(12)8-16-2/h4-7,11H,3,8-9H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(methoxymethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 54965186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).